1-[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine

C16H20N2OS — CID 116730681

IUPAC1-[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(C2(OC)CCC2)nc1-c1ccccc1
InChIInChI=1S/C16H20N2OS/c1-17-11-13-14(12-7-4-3-5-8-12)18-15(20-13)16(19-2)9-6-10-16/h3-5,7-8,17H,6,9-11H2,1-2H3
InChIKeyCRLOAZVWXLEICF-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.56
Rot. Bonds5

About 1-[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 116730681) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID116730681
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(C2(OC)CCC2)nc1-c1ccccc1
InChIInChI=1S/C16H20N2OS/c1-17-11-13-14(12-7-4-3-5-8-12)18-15(20-13)16(19-2)9-6-10-16/h3-5,7-8,17H,6,9-11H2,1-2H3
InChIKeyCRLOAZVWXLEICF-UHFFFAOYSA-N
XLogP3.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 116730669
1-[2-(1-methoxycyclobutyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363491
N-methyl-1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanamine
CID 81173465
1-[2-(1-methoxycycloheptyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364760
1-[2-(methoxymethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 81174031
1-[2-(azepan-1-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62763999
1-[4-ethyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116778029
1-[4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366904
N-methyl-1-[2-(3-methylphenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81178171
1-[2-(5-bromothiophen-2-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 81173545
N-methyl-1-[2-(2-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 62766165
1-[2-[cyclopropyl(ethoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116730678

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 116730681) is 1-[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(C2(OC)CCC2)nc1-c1ccccc1.
What is the InChIKey of 1-[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is CRLOAZVWXLEICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-17-11-13-14(12-7-4-3-5-8-12)18-15(20-13)16(19-2)9-6-10-16/h3-5,7-8,17H,6,9-11H2,1-2H3.
What are the key properties of 1-[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 288.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 116730681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).